2-[(3,5-dimethoxyphenyl)methyl]-5-(1-methylsulfonylpiperidin-3-yl)-4-thiophen-2-yl-1,2,4-triazol-3-one

Systemtic Name: 2-[(3,5-dimethoxyphenyl)methyl]-5-(1-methylsulfonylpiperidin-3-yl)-4-thiophen-2-yl-1,2,4-triazol-3-one Openeye Name: 2-[(3,5-dimethoxyphenyl)methyl]-5-(1-methylsulfonyl-3-piperidyl)-4-(2-thienyl)-1,2,4-triazol-3-one CAS Name: 2-[(3,5-dimethoxyphenyl)methyl]-5-(1-methylsulfonyl-3-piperidinyl)-4-thiophen-2-yl-1,2,4-triazol-3-one IUPAC Name: 2-[(3,5-dimethoxyphenyl)methyl]-5-(1-methylsulfonylpiperidin-3-yl)-4-thiophen-2-yl-1,2,4-triazol-3-one Traditional Name: 2-(3,5-dimethoxybenzyl)-5-(1-mesyl-3-piperidyl)-4-(2-thienyl)-1,2,4-triazol-3-one Formula: C21H26N4O5S2 MolecularWeight: 478.58494

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1)CN2C(=O)N(C(=N2)C3CCCN(C3)S(=O)(=O)C)C4=CC=CS4)OC

Isomeric SMILES

COC1=CC(=CC(=C1)CN2C(=O)N(C(=N2)C3CCCN(C3)S(=O)(=O)C)C4=CC=CS4)OC

InChI

InChI=1S/C21H26N4O5S2/c1-29-17-10-15(11-18(12-17)30-2)13-24-21(26)25(19-7-5-9-31-19)20(22-24)16-6-4-8-23(14-16)32(3,27)28/h5,7,9-12,16H,4,6,8,13-14H2,1-3H3